2aux: Difference between revisions

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-[[Image:2aux.png|left|200px]]
-<!--
+==Cathepsin K complexed with a semicarbazone inhibitor==
-The line below this paragraph, containing "STRUCTURE_2aux", creates the "Structure Box" on the page.
+<StructureSection load='2aux' size='340' side='right'caption='[[2aux]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
+== Structural highlights ==
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+<table><tr><td colspan='2'>[[2aux]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AUX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2AUX FirstGlance]. <br>
-or leave the SCENE parameter empty for the default display.
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4&#8491;</td></tr>
--->
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CT1:(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE'>CT1</scene></td></tr>
-{{STRUCTURE_2aux|  PDB=2aux  |  SCENE=  }}
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2aux FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2aux OCA], [https://pdbe.org/2aux PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2aux RCSB], [https://www.ebi.ac.uk/pdbsum/2aux PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2aux ProSAT]</span></td></tr>
+</table>
+== Disease ==
+[https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Defects in CTSK are the cause of pycnodysostosis (PKND) [MIM:[https://omim.org/entry/265800 265800]. PKND is an autosomal recessive osteochondrodysplasia characterized by osteosclerosis and short stature.<ref>PMID:8703060</ref> <ref>PMID:9529353</ref> <ref>PMID:10491211</ref> <ref>PMID:10878663</ref>
+== Function ==
+[https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Closely involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation.
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/au/2aux_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2aux ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+Starting from potent aldehyde inhibitors with poor drug properties, derivatization to semicarbazones led to the identification of a series of semicarbazone-based cathepsin K inhibitors with greater solubility and better pharmacokinetic profiles than their parent aldehydes. Furthermore, a representative semicarbazone inhibitor attenuated bone resorption in an ex vivo rat calvarial bone resorption model. However, based on enzyme inhibition comparisons at neutral pH, semicarbazone hydrolysis rates, and 13C NMR experiments, these semicarbazones probably function as prodrugs of aldehydes.
-===Cathepsin K complexed with a semicarbazone inhibitor===
+Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?,Adkison KK, Barrett DG, Deaton DN, Gampe RT, Hassell AM, Long ST, McFadyen RB, Miller AB, Miller LR, Payne JA, Shewchuk LM, Wells-Knecht KJ, Willard DH Jr, Wright LL Bioorg Med Chem Lett. 2006 Feb 15;16(4):978-83. Epub 2005 Nov 15. PMID:16290936<ref>PMID:16290936</ref>
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-<!--
+</div>
-The line below this paragraph, {{ABSTRACT_PUBMED_16290936}}, adds the Publication Abstract to the page
+<div class="pdbe-citations 2aux" style="background-color:#fffaf0;"></div>
-(as it appears on PubMed at http://www.pubmed.gov), where 16290936 is the PubMed ID number.
--->
-{{ABSTRACT_PUBMED_16290936}}
-==About this Structure==
-[[2aux]] is a 1 chain structure of [[Cathepsin]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2AUX OCA].
 ==See Also==
-*[[Cathepsin]]
+*[[Cathepsin 3D structures|Cathepsin 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:16290936</ref><references group="xtra"/>
+__TOC__
-[[Category: Cathepsin K]]
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Adkison, K K.]]
+[[Category: Large Structures]]
-[[Category: Barrett, D G.]]
+[[Category: Adkison KK]]
-[[Category: Deaton, D N.]]
+[[Category: Barrett DG]]
-[[Category: Gampe, R T.]]
+[[Category: Deaton DN]]
-[[Category: Hassell, A M.]]
+[[Category: Gampe RT]]
-[[Category: Long, S T.]]
+[[Category: Hassell AM]]
-[[Category: McFadyen, R B.]]
+[[Category: Long ST]]
-[[Category: Miller, A B.]]
+[[Category: McFadyen RB]]
-[[Category: Miller, L R.]]
+[[Category: Miller AB]]
-[[Category: Shewchuk, L M.]]
+[[Category: Miller LR]]
-[[Category: Catk]]
+[[Category: Shewchuk LM]]
-[[Category: Cysteine protease]]
-[[Category: Hydrolase]]